| SpectraBase Compound ID | Ly0QZUP1ogF |
|---|---|
| InChI | InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18+,19?,20-,23-,24+,25-/m1/s1 |
| InChIKey | HCVOJPQEMAKKFV-FMBDTARCSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C25H36O4 |
| Exact Mass | 400.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6XRarfBRIu |
|---|---|
| Name | 3-ALPHA-TIGLOYLOXY-KAUR-16-EN-19-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O4 |
| InChI | InChI=1S/C25H36O4/c1-6-15(2)21(26)29-20-10-11-23(4)18(24(20,5)22(27)28)9-12-25-13-16(3)17(14-25)7-8-19(23)25/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18+,19?,20-,23-,24+,25-/m1/s1 |
| InChIKey | HCVOJPQEMAKKFV-FMBDTARCSA-N |
| Literature Reference Author | H.S.VIEIRA,J.A.TAKAHASHI,M.A.D.BOAVENTURA |
| Literature Reference Citation | FITOTERAPIA,72,854(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(01)00332-X |
| Molecular Weight | 400.558 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4101 |